BDBM125902 US8765727, 5

SMILES: Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3

InChI Key: InChIKey=WILMKMPUMOSDLH-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 125902   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM125902 (US8765727, 5) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	706	n/a	n/a	n/a	n/a	7.8	n/a
Incyte Corporation US Patent					Assay Description HTRF kinase assay: 40 μL reactions were run in black 384 well polystyrene plates in assay buffer (50 mM Tris, pH 7.8, 100 mM NaCI, 0.1 mg/mL BSA...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM125902 (US8765727, 5) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM125902 (US8765727, 5) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description TYK2 assays described by James E. Thompson et. al, Photochemical preparation of a pyridone containing tetracycle: A JAK protein kinase inhibitor, Bio...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM125902 (US8765727, 5) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM125902 (US8765727, 5) Show SMILES Clc1cnc2Nc3cccc(CCCOc4cccc(CNc1n2)c4)c3 Show InChI InChI=1S/C20H19ClN4O/c21-18-13-23-20-24-16-7-1-4-14(10-16)6-3-9-26-17-8-2-5-15(11-17)12-22-19(18)25-20/h1-2,4-5,7-8,10-11,13H,3,6,9,12H2,(H2,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.8	25
Incyte Corporation US Patent					Assay Description One or more compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., A...				US Patent US8765727 (2014) BindingDB Entry DOI: 10.7270/Q2FQ9V87
					More data for this Ligand-Target Pair